5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide

C12H8F3N3O3S — CID 90012231

IUPAC5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C12H8F3N3O3S/c13-12(14,15)10-4-2-8(6-18-10)22(20,21)7-1-3-9(11(16)19)17-5-7/h1-6H,(H2,16,19)
InChIKeyFZZGSKYKQNHZFC-UHFFFAOYSA-N
MW331.28 g/mol
LogP1.43
Rot. Bonds3

About 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide

5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide (PubChem CID 90012231) has the molecular formula C12H8F3N3O3S and a molecular weight of 331.28 g/mol. Its IUPAC name is 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide
PubChem CID90012231
Molecular FormulaC12H8F3N3O3S
Molecular Weight331.28 g/mol
Exact Mass331.02
IUPAC Name5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C12H8F3N3O3S/c13-12(14,15)10-4-2-8(6-18-10)22(20,21)7-1-3-9(11(16)19)17-5-7/h1-6H,(H2,16,19)
InChIKeyFZZGSKYKQNHZFC-UHFFFAOYSA-N
XLogP1.43
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide (CID 90012231) is 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide?
The InChIKey is FZZGSKYKQNHZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O3S/c13-12(14,15)10-4-2-8(6-18-10)22(20,21)7-1-3-9(11(16)19)17-5-7/h1-6H,(H2,16,19).
What are the key properties of 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide?
5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyridine-2-carboxamide is sourced from PubChem (CID 90012231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).